CID 115851

64744-01-0

Structural Information

Molecular Formula

C₂₀H₂₇NO

SMILES

CCCCC(CC)CC=C(C)C1=C(C2=C(C=CC=N2)C=C1)O

InChI

InChI=1S/C20H27NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9-10,12-14,16,22H,4-6,8,11H2,1-3H3

InChIKey

JSCYXWISFCQGAL-UHFFFAOYSA-N

Compound name

7-(5-ethylnon-2-en-2-yl)quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 297.20926 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.216536	176.2
[M+Na]+	320.198478	181.5
[M-H]-	296.201984	177.0
[M+NH4]+	315.243083	190.7
[M+K]+	336.172418	176.0
[M+H-H2O]+	280.206520	168.4
[M+HCOO]-	342.207461	192.5
[M+CH3COO]-	356.223111	206.3
[M+Na-2H]-	318.183926	177.4
[M]+	297.20871142	177.5
[M]-	297.20980858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe